Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKV----TNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRV--DCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQ---------------TGESS-----------YSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLN----KQGDVRPL------KEALISHYEIT------VLTKPLLEQAAQLTGNDELRELLAP---GNEENVKAYIEGR-DLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAH-GRERKGVCSILCAERLQPGDT---LPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQER---EETGAE-GKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAA-VYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
4YAU Chain:B ((22-620))-----------------------------------------------------------------RNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYNGDPTDNAQDFYDWLQETDV-DLTGVKFAVFGLGNKTYEHFNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEFFGVEAT-----IRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLN-QGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPCPTTYRTALTYYLDITNPPRTNVLYE-LAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLCELLPRLQARYYSIASSSKVHPNSVHICAVAVEYEAKSGRVNKGVATSWLRAKEPAG--RALVPMFVRKSQ-FRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGCRRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVCGDARNMAKDVQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLDVW


General information:
TITO was launched using:
RESULT:

Template: 4YAU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2900 103207 35.59 195.10
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.77

3D Compatibility (PKB) : 35.59
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.545

(partial model without unconserved sides chains):
PDB file : Tito_4YAU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YAU-query.scw
PDB file : Tito_Scwrl_4YAU.pdb: